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ZINC Item

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5778795

Analogs

7160376
4887705

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(isopropylcarbamoyl)acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	-3.8	-19.01	2	7	0	97	348.428	5	↓ MOL2 SDF SMILES Flexibase

5778930

Analogs

5778940

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-isopropyl-acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	-2.72	-10.34	1	5	0	68	305.403	5	↓ MOL2 SDF SMILES Flexibase

5778935

Analogs

5778937
7382096

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-sec-butyl-acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	-2.34	-10.18	1	5	0	68	319.43	6	↓ MOL2 SDF SMILES Flexibase

5778937

Analogs

5794874
7382096
5778935

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-sec-butyl-acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	-2.35	-10.19	1	5	0	68	319.43	6	↓ MOL2 SDF SMILES Flexibase

5778938

Analogs

4912772

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-acetamide N-(2-cyanoethyl)-2-[[5-(3,4-dime…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	-0.02	-15.31	0	6	0	83	330.413	6	↓ MOL2 SDF SMILES Flexibase

5778940

Analogs

5778930

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-tert-butyl-acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	-2.36	-9.78	1	5	0	68	319.43	5	↓ MOL2 SDF SMILES Flexibase

5778943

Analogs

5794636
7159802
7382033

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide N-butyl-2-[[5-(3,4-dimethylpheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	-3.02	-10.1	1	5	0	68	319.43	7	↓ MOL2 SDF SMILES Flexibase

5778950

Analogs

7159802

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-isopentyl-acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	-2.71	-10.11	1	5	0	68	333.457	7	↓ MOL2 SDF SMILES Flexibase

5778952

Analogs

6302548

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	-3.32	-11.02	1	5	0	68	277.349	4	↓ MOL2 SDF SMILES Flexibase

5778978

Analogs

5778980
5794967
5794977

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-methylbutyl)acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	-2.28	-10.13	1	5	0	68	333.457	7	↓ MOL2 SDF SMILES Flexibase

5778980

Analogs

5794967
5794977
5778978

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-methylbutyl)acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	-2.22	-10.09	1	5	0	68	333.457	7	↓ MOL2 SDF SMILES Flexibase

5779112

Analogs

5794565
5794880
7160120
4927147

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(ethylcarbamoyl)acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	-4.3	-19.03	2	7	0	97	334.401	5	↓ MOL2 SDF SMILES Flexibase

5779178

Analogs

5779181

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	-3.69	-10.58	2	5	0	82	277.349	4	↓ MOL2 SDF SMILES Flexibase

5779181

Analogs

5779178

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	-3.7	-10.58	2	5	0	82	277.349	4	↓ MOL2 SDF SMILES Flexibase

5779184

Analogs

5779187

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	0.55	-7.14	0	4	0	62	259.334	3	↓ MOL2 SDF SMILES Flexibase

5779187

Analogs

5779184

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	0.55	-7.15	0	4	0	62	259.334	3	↓ MOL2 SDF SMILES Flexibase

5779189

Analogs

5794880
7160120
7160376
4927388

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(isobutylcarbamoyl)acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	-3.72	-18.55	2	7	0	97	362.455	6	↓ MOL2 SDF SMILES Flexibase

5779193

Analogs

5794550
5794565
5794880
7160120
7160376

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	-4.22	-18.91	2	7	0	97	348.428	6	↓ MOL2 SDF SMILES Flexibase

5781519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl [5-(4-nitrophenyl)-1,3,4-oxadiaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	0.41	-10.1	0	8	0	111	291.263	7	↓ MOL2 SDF SMILES Flexibase

5781708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-phenyl-1,3,4-oxadiazol-2-yl)carbamoylmethyl (5-phenyl-1,3,4-oxadiazol-2-yl)c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	-1.13	-16.47	1	7	0	94	289.291	7	↓ MOL2 SDF SMILES Flexibase

7151060

Analogs

7151061

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	-0.96	-10.19	0	5	0	59	305.403	4	↓ MOL2 SDF SMILES Flexibase

7151061

Analogs

7151060

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	-0.89	-10.07	0	5	0	59	305.403	4	↓ MOL2 SDF SMILES Flexibase

50065267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	4.86	-48.97	1	6	1	70	290.343	8	↓ MOL2 SDF SMILES Flexibase

44992236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-N,N-dimethyl-propanamide 3-[[5-(2-bromophenyl)-1,3,4-oxad…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.86	2.62	-52.85	2	6	1	76	354.228	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.86	1.26	-14.57	1	6	0	71	353.22	6	↓ MOL2 SDF SMILES Flexibase

34560584

Analogs

18272321

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one 5-[4-(trifluoromethyl)phenyl]-3H…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	-0.77	-40.65	0	4	-1	62	229.137	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.15	1.41	-6.5	1	4	0	59	230.145	2	↓ MOL2 SDF SMILES Flexibase

44994266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-N-methyl-propanamide 3-[[5-(2-bromophenyl)-1,3,4-oxad…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	0.68	-52.68	3	6	1	85	340.201	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.06	-0.67	-14.52	2	6	0	80	339.193	6	↓ MOL2 SDF SMILES Flexibase

20120459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline 5-ethoxy-4-methoxy-2-(5-methyl-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.78	0.06	-10.34	2	6	0	83	249.27	4	↓ MOL2 SDF SMILES Flexibase

20120469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenol 4-amino-2-(5-methyl-1,3,4-oxadia…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.13	-2.91	-15.55	3	5	0	85	191.19	1	↓ MOL2 SDF SMILES Flexibase

20120473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenol 2-amino-4-(5-ethyl-1,3,4-oxadiaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.11	-2.95	-9.1	3	5	0	85	205.217	2	↓ MOL2 SDF SMILES Flexibase

20120474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-amino-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]acetic 2-[2-amino-4-(5-methyl-1,3,4-oxa…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.06	-0.97	-48.56	2	7	-1	114	248.218	4	↓ MOL2 SDF SMILES Flexibase

20120485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-amino-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl] [2-amino-4-(5-methyl-1,3,4-oxadi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.31	0.3	-13.84	2	6	0	91	233.227	3	↓ MOL2 SDF SMILES Flexibase

20120487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)aniline 2-methyl-5-(5-methyl-1,3,4-oxadi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.20	-0.25	-10.34	2	4	0	65	189.218	1	↓ MOL2 SDF SMILES Flexibase

20120489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline 4-chloro-3-(5-methyl-1,3,4-oxadi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.02	-0.5	-10.67	2	4	0	65	209.636	1	↓ MOL2 SDF SMILES Flexibase

71507756

Analogs

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Popular Name: 2-chloro-5-(4-fluorophenyl)-1,3,4-oxadiazole 2-chloro-5-(4-fluorophenyl)-1,3,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	0.99	-4.31	0	3	0	39	198.584	1	↓ MOL2 SDF SMILES Flexibase

52868378

Analogs

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Popular Name: N-allyl-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-en-1-amine N-allyl-N-[[5-(2-bromophenyl)-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	6.08	-38.97	1	4	1	43	335.225	7	↓ MOL2 SDF SMILES Flexibase

52924979

Analogs

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide N-[2-(2-hydroxyethoxy)ethyl]-4-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.26	-3.52	-16.95	2	7	0	97	277.28	7	↓ MOL2 SDF SMILES Flexibase

52943352

Analogs

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Popular Name: 2-(chloromethyl)-5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazole 2-(chloromethyl)-5-(2-methoxy-5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	2.11	-10.81	0	4	0	48	238.674	3	↓ MOL2 SDF SMILES Flexibase

52943353

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazole 2-[(1R)-1-chloroethyl]-5-(2-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	2.82	-10.67	0	4	0	48	252.701	3	↓ MOL2 SDF SMILES Flexibase

52943354

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazole 2-[(1S)-1-chloroethyl]-5-(2-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	2.82	-10.66	0	4	0	48	252.701	3	↓ MOL2 SDF SMILES Flexibase

52943355

Analogs

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Popular Name: 2-(2-chloroethyl)-5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazole 2-(2-chloroethyl)-5-(2-methoxy-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	2.9	-9.84	0	4	0	48	252.701	4	↓ MOL2 SDF SMILES Flexibase

52943356

Analogs

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Popular Name: 2-(3-chloropropyl)-5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazole 2-(3-chloropropyl)-5-(2-methoxy-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	3.67	-12.29	0	4	0	48	266.728	5	↓ MOL2 SDF SMILES Flexibase

52943459

Analogs

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Popular Name: 5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazol-2-amine 5-(2-methoxy-5-methyl-phenyl)-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	-1.07	-11.43	2	5	0	74	205.217	2	↓ MOL2 SDF SMILES Flexibase

52943747

Analogs

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Popular Name: 5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazole-2-thiol 5-(2-methoxy-5-methyl-phenyl)-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	1.32	-47.39	0	4	-1	48	221.261	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.03	1.89	-9.15	1	4	0	51	222.269	2	↓ MOL2 SDF SMILES Flexibase

52943748

Analogs

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Popular Name: 2-[[5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic 2-[[5-(2-methoxy-5-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	2.72	-46.78	0	6	-1	88	279.297	5	↓ MOL2 SDF SMILES Flexibase

52943844

Analogs

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Popular Name: 3-[5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(2-methoxy-5-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.49	2.98	-48.75	0	6	-1	88	261.257	5	↓ MOL2 SDF SMILES Flexibase

52943845

Analogs

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Popular Name: 4-[5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(2-methoxy-5-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.76	3.76	-54.03	0	6	-1	88	275.284	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.76	1.78	-17.32	1	6	0	85	276.292	6	↓ MOL2 SDF SMILES Flexibase

52943846

Analogs

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Popular Name: 5-[5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-(2-methoxy-5-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	4.54	-51.59	0	6	-1	88	289.311	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.27	2.56	-14.61	1	6	0	85	290.319	7	↓ MOL2 SDF SMILES Flexibase

52943847

Analogs

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Popular Name: 2-[[5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic 2-[[5-(2-methoxy-5-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.99	2.18	-56.06	0	7	-1	98	277.256	6	↓ MOL2 SDF SMILES Flexibase

52944054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazol-2-yl]methanamine [5-(2-methoxy-5-methyl-phenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.98	-1.11	-51.3	3	5	1	76	220.252	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.98	-1.5	-11.67	2	5	0	74	219.244	3	↓ MOL2 SDF SMILES Flexibase

52944055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(2-methoxy-5-methyl-phenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine 3-[5-(2-methoxy-5-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	0.43	-52.89	3	5	1	76	248.306	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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